COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.070  -2.374  -0.098  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.905  -3.071   1.537  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.642  -5.964   0.061  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.437  -6.503  -1.932  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.131  -5.174  -2.140  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.578  -4.213  -1.243  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.580   2.486   0.117  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.140   5.530  -1.852  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.968   4.849  -0.366  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.637   3.831   0.473  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.329   4.218   1.624  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.955   3.270   2.409  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.904   1.934   2.063  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.220   1.533   0.911  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.167   0.147   0.553  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.123  -0.989   0.260  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.650  -3.386   0.602  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.449  -3.267   1.874  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.342  -4.614  -0.132  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.191  -6.893  -0.835  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.514  -8.351  -0.628  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.709   5.808  -1.381  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.572   4.763  -0.928  1.00  0.00           C  
HETATM   24  C   UNL     1       0.183   3.435  -1.006  1.00  0.00           C  
HETATM   25  C   UNL     1       2.466   2.627  -0.736  1.00  0.00           C  
HETATM   26  C   UNL     1       3.898   2.857  -0.449  1.00  0.00           C  
HETATM   27  C   UNL     1       4.792   1.788  -0.462  1.00  0.00           C  
HETATM   28  C   UNL     1       6.142   2.014  -0.191  1.00  0.00           C  
HETATM   29  C   UNL     1       7.069   0.922  -0.202  1.00  0.00           C  
HETATM   30  C   UNL     1       7.829   0.027  -0.211  1.00  0.00           C  
HETATM   31  C   UNL     1       8.756  -1.064  -0.223  1.00  0.00           C  
HETATM   32  C   UNL     1      10.089  -0.962   0.026  1.00  0.00           C  
HETATM   33  C   UNL     1      10.855   0.293   0.359  1.00  0.00           C  
HETATM   34  C   UNL     1      10.869   0.492   1.852  1.00  0.00           C  
HETATM   35  C   UNL     1      10.629  -2.317  -0.093  1.00  0.00           C  
HETATM   36  C   UNL     1      11.902  -2.872   0.041  1.00  0.00           C  
HETATM   37  C   UNL     1      12.078  -4.216  -0.140  1.00  0.00           C  
HETATM   38  C   UNL     1      13.452  -4.818   0.005  1.00  0.00           C  
HETATM   39  C   UNL     1      11.000  -5.029  -0.456  1.00  0.00           C  
HETATM   40  C   UNL     1       9.733  -4.499  -0.593  1.00  0.00           C  
HETATM   41  C   UNL     1       9.531  -3.137  -0.414  1.00  0.00           C  
HETATM   42  C   UNL     1       6.588   3.310   0.091  1.00  0.00           C  
HETATM   43  C   UNL     1       5.695   4.362   0.102  1.00  0.00           C  
HETATM   44  C   UNL     1       4.359   4.146  -0.171  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.615   3.711  -0.167  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.043   3.346  -0.589  1.00  0.00           C  
HETATM   47  N   UNL     1      -4.765   4.585  -0.913  1.00  0.00           N  
HETATM   48  N   UNL     1      -1.995   4.536  -1.212  1.00  0.00           N  
HETATM   49  N   UNL     1       1.602   3.662  -0.723  1.00  0.00           N  
HETATM   50  O   UNL     1      -6.503   5.922  -0.562  1.00  0.00           O  
HETATM   51  O   UNL     1     -10.257  -3.032   0.382  1.00  0.00           O  
HETATM   52  O   UNL     1     -10.810  -2.939   2.519  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.442  -2.872  -1.182  1.00  0.00           O  
HETATM   54  O   UNL     1      10.314  -0.303   2.573  1.00  0.00           O  
HETATM   55  O   UNL     1      11.498   1.553   2.382  1.00  0.00           O  
HETATM   56  O   UNL     1       8.437  -2.350  -0.476  1.00  0.00           O  
HETATM   57  O   UNL     1       2.067   1.506  -0.982  1.00  0.00           O  
HETATM   58  H   UNL     1      -8.228  -6.273   0.914  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.087  -7.247  -2.632  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.544  -4.882  -2.998  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.047   2.182  -0.772  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.708   6.460  -1.868  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.118   5.096  -2.852  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.373   5.260   1.900  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.487   3.575   3.298  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.395   1.198   2.682  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.091  -2.413   2.449  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.332  -4.177   2.463  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.452  -8.590  -1.129  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.714  -8.963  -1.045  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.609  -8.554   0.438  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.194   6.419  -2.122  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.736   6.339  -0.428  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.464   5.184   0.071  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.162   5.458  -1.661  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.228   2.740  -0.273  1.00  0.00           H  
HETATM   77  H   UNL     1       0.075   3.014  -2.006  1.00  0.00           H  
HETATM   78  H   UNL     1       4.442   0.790  -0.681  1.00  0.00           H  
HETATM   79  H   UNL     1      11.879   0.200  -0.005  1.00  0.00           H  
HETATM   80  H   UNL     1      10.376   1.148  -0.118  1.00  0.00           H  
HETATM   81  H   UNL     1      12.745  -2.243   0.287  1.00  0.00           H  
HETATM   82  H   UNL     1      13.609  -5.120   1.040  1.00  0.00           H  
HETATM   83  H   UNL     1      13.538  -5.688  -0.645  1.00  0.00           H  
HETATM   84  H   UNL     1      14.204  -4.079  -0.275  1.00  0.00           H  
HETATM   85  H   UNL     1      11.153  -6.089  -0.596  1.00  0.00           H  
HETATM   86  H   UNL     1       8.901  -5.142  -0.840  1.00  0.00           H  
HETATM   87  H   UNL     1       7.632   3.487   0.302  1.00  0.00           H  
HETATM   88  H   UNL     1       6.044   5.360   0.322  1.00  0.00           H  
HETATM   89  H   UNL     1       3.667   4.975  -0.166  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.644   4.270   0.768  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.033   2.800  -0.028  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.011   2.700  -1.466  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.545   2.830   0.229  1.00  0.00           H  
HETATM   94  H   UNL     1       1.920   4.557  -0.526  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.731  -2.815   2.254  1.00  0.00           H  
HETATM   96  H   UNL     1      11.480   1.638   3.345  1.00  0.00           H  
CONECT    1   17   17   53   16                                       
CONECT    2   18   51   51   52                                       
CONECT    3   20   20   19   58                                       
CONECT    4   20    5    5   59                                       
CONECT    5    4    4    6   60                                       
CONECT    6   19   19    5   53                                       
CONECT    7   14   10   10   61                                       
CONECT    8   47   22   62   63                                       
CONECT    9   10   50   50   47                                       
CONECT   10    7    7   11    9                                       
CONECT   11   12   12   10   64                                       
CONECT   12   13   11   11   65                                       
CONECT   13   14   14   12   66                                       
CONECT   14   15   13   13    7                                       
CONECT   15   16   16   16   14                                       
CONECT   16    1   15   15   15                                       
CONECT   17   19   18    1    1                                       
CONECT   18   17    2   67   68                                       
CONECT   19    3   17    6    6                                       
CONECT   20   21    3    3    4                                       
CONECT   21   20   69   70   71                                       
CONECT   22    8   48   72   73                                       
CONECT   23   48   24   74   75                                       
CONECT   24   23   49   76   77                                       
CONECT   25   49   57   57   26                                       
CONECT   26   25   44   44   27                                       
CONECT   27   26   28   28   78                                       
CONECT   28   27   27   42   29                                       
CONECT   29   28   30   30   30                                       
CONECT   30   29   29   29   31                                       
CONECT   31   30   56   32   32                                       
CONECT   32   31   31   33   35                                       
CONECT   33   32   34   79   80                                       
CONECT   34   54   54   33   55                                       
CONECT   35   41   32   36   36                                       
CONECT   36   35   35   37   81                                       
CONECT   37   39   39   36   38                                       
CONECT   38   37   82   83   84                                       
CONECT   39   40   37   37   85                                       
CONECT   40   41   41   39   86                                       
CONECT   41   56   40   40   35                                       
CONECT   42   43   43   28   87                                       
CONECT   43   44   42   42   88                                       
CONECT   44   26   26   43   89                                       
CONECT   45   46   48   90   91                                       
CONECT   46   47   45   92   93                                       
CONECT   47    9   46    8                                            
CONECT   48   45   22   23                                            
CONECT   49   24   25   94                                            
CONECT   50    9    9                                                 
CONECT   51    2    2                                                 
CONECT   52    2   95                                                 
CONECT   53    6    1                                                 
CONECT   54   34   34                                                 
CONECT   55   34   96                                                 
CONECT   56   31   41                                                 
CONECT   57   25   25                                                 
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   27                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   49                                                      
CONECT   95   52                                                      
CONECT   96   55                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
